General Information of the Compound
| Compound ID |
CP0557588
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| Compound Name |
US8962837, 9
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| Structure |
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| Formula |
C17H20ClN3O2
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| Molecular Weight |
333.819
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| Canonical SMILES |
Cc1ccccc1OC1CCN(CC1)c1nc(Cl)cn(C)c1=O
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| InChI |
InChI=1S/C17H20ClN3O2/c1-12-5-3-4-6-14(12)23-13-7-9-21(10-8-13)16-17(22)20(2)11-15(18)19-16/h3-6,11,13H,7-10H2,1-2H3
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| InChIKey |
RVEDNFBVAKXYRX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound